5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide

C23H24Cl4N4O4 — CID 155534523

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 155534523) has the molecular formula C23H24Cl4N4O4 and a molecular weight of 562.28 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide
• PubChem CID: 155534523
• Molecular Formula: C23H24Cl4N4O4
• Molecular Weight: 562.28 g/mol
• Exact Mass: 560.06
• IUPAC Name: 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide
• SMILES: Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
• InChI: InChI=1S/C23H24Cl4N4O4/c1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)4-11/h2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34)/t12-,13?,14+,19-/m1/s1
• InChIKey: UCAWPBIKNIGWBB-UAEOXFLFSA-N
• XLogP: 4.28
• TPSA: 112.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.28
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide?

The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide (CID 155534523) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl.

What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide?

The InChIKey is UCAWPBIKNIGWBB-UAEOXFLFSA-N. The full InChI is InChI=1S/C23H24Cl4N4O4/c1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)4-11/h2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34)/t12-,13?,14+,19-/m1/s1.

What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide?

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 562.28 g/mol, XLogP of 4.28, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-dichlorophenyl)-6-(2,3-dihydroxypropyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 155534523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).